| CAS Number | 19846-20-9 |
| Catalog Number | AG00I3NF(AGN-PC-00P4Z6) |
| Chemical Name | Benzonitrile, 3-amino-2,6-dichloro- |
| IUPAC Name | 3-amino-2,6-dichlorobenzonitrile |
| InChI | InChI=1S/C7H4Cl2N2/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2H,11H2 |
| InChI Key | BNPFHQUYMVSYSZ-UHFFFAOYSA-N |
| MDL Number | MFCD09264301 |
| Molecular Formula | C7H4Cl2N2 |
| Molecular Weight | 187.0261 |
| SMILES | N#Cc1c(Cl)ccc(c1Cl)N |
| Synonyms | 3-amino-2,6-dichlorobenzonitrile,
19846-20-9,
2,4-Dichloro-3-cyanoaniline,
2,4-Dichloro-3-cyano aniline,
SCHEMBL10987754,
BNPFHQUYMVSYSZ-UHFFFAOYSA-N,
MFCD09264301,
ZINC34550433,
AKOS006331816,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.023g/mol |
| Monoisotopic Mass | 185.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number